Properties of periodic Hartree-Fock minimizers

DOI10.1007/S00526-008-0196-ZMaRDI QIDQ1016340zbMATH OpenOpenAlexFDO

Authors Marco Ghimenti, M. Lewin

Publication date 5 May 2009

Published in Calculus of Variations and Partial Differential Equations (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/0803.3269

zbMATH Keywords

nonlinear equationprojectorexistence of a minimizerperiodic Hartree-Fock model

Mathematics Subject Classification ID

Nonlinear eigenvalue problems and nonlinear spectral theory for PDEs (35P30) Variational principles of physics (49S05) Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) Molecular physics (81V55)

Abstract: We study the periodic Hartree-Fock model used for the description of electrons in a crystal. The existence of a minimizer was previously shown by Catto, Le Bris and Lions (Ann. Inst. H. Poincare Anal. Non Lineaire} 18 (2001), no.6, 687--760). We prove in this paper that any minimizer is necessarily a projector and that it solves a certain nonlinear equation, similarly to the atomic case. In particular we show that the Fermi level is either empty or totally filled.

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Cites work

• scientific article; zbMATH DE number 3622441 (Why is no real title available?)
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• On the thermodynamic limit for Hartree-Fock type models
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• The Thomas-Fermi theory of atoms, molecules and solids

Cited in

(4)

• Mathematical modeling of point defects in materials science
• Existence of minimizers for the Dirac-Fock model of crystals
• A reduced Hartree-Fock model of slice-like defects in the Fermi sea
• Dirac cones for a mean-field model of graphene

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